Compound Identification
SMILES
COC(=O)[C@H]1[C@H]([NH2+][C@H]([C@H](C(=O)OC)S1(=O)=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=HXZGSGMQZHHVEH-XMTFNYHQSA-O
Formula
C20H22NO6S
Mass
404.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiazinanes
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Subclass
Thiomorpholines
- Level 5 Phenylthiomorpholines
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Subclass
Thiomorpholines
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Class
Thiazinanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiazinanes
Subclass
Thiomorpholines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylthiomorpholines
Alternative Parents
Thiomorpholine carboxylic acids and derivatives Aralkylamines Dicarboxylic acids and derivatives Benzene and substituted derivatives Sulfones Quaternary ammonium salts Methyl esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylthiomorpholine - Thiomorpholine-2-carboxylic acid - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Quaternary ammonium salt - Sulfone - Methyl ester - Carboxylic acid ester - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylthiomorpholines. These are compounds containing a thiomorpholine ring conjugated to a phenyl group. Thiomorpholine a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four carbon atoms.
External Descriptors
Not available